MAX-40279

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
MAX-40279
DrugBank Accession Number
DB15191
Background

MAX-40279 is under investigation in clinical trial NCT03412292 (MAX-40279 in Subjects With Acute Myelogenous Leukemia (AML)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 438.53
Monoisotopic: 438.163808722
Chemical Formula
C22H23FN6OS
Synonyms
  • 7-(4-Fluoro-2-methoxyphenyl)-6-methyl-N-(1-(piperidin-4-yl)-1H-pyrazol-4-yl) thieno (3,2-d)pyrimidin-2-amine
External IDs
  • MAX-40279

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
MAX-40279 hemifumarateJU19P2M2KMNot AvailableNot applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
DL772G3NN7
CAS number
2070931-57-4
InChI Key
AVIOBQFPAGEICQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H23FN6OS/c1-13-20(17-4-3-14(23)9-18(17)30-2)21-19(31-13)11-25-22(28-21)27-15-10-26-29(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24H,5-8H2,1-2H3,(H,25,27,28)
IUPAC Name
N-[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]-1-(piperidin-4-yl)-1H-pyrazol-4-amine
SMILES
COC1=CC(F)=CC=C1C1=C(C)SC2=CN=C(NC3=CN(N=C3)C3CCNCC3)N=C12

References

General References
Not Available
ChemSpider
68007018
ChEMBL
CHEMBL4297470

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Not Yet RecruitingTreatmentMetastatic Colorectal Cancer (CRC)1
2RecruitingTreatmentGastric Cancer / Gastroesophageal Junction Cancer1
1RecruitingTreatmentAcute Myeloid Leukemia2
1RecruitingTreatmentSolid Tumors2
1, 2Not Yet RecruitingTreatmentAdvanced or Metastatic Solid Tumor1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0183 mg/mLALOGPS
logP3.69ALOGPS
logP3.26Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)10.65Chemaxon
pKa (Strongest Basic)9.89Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area76.89 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity130.05 m3·mol-1Chemaxon
Polarizability46.45 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-095f0b6a4ee89b112f0c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0001900000-3130f65450e5121f4871
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0002900000-f2656ddcf5ff152273d3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-6014900000-6366db691bf47963466c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a70-0019200000-748ac28b03b67b641d54
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6y-2329100000-5a9726b46ac741469561
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:58 / Updated at December 13, 2022 10:46